General Information of the Compound
Compound ID
CP0411245
Compound Name
N-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydroxylamine
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Structure
Formula
C21H22N4O
Molecular Weight
346.434
Canonical SMILES
CCCCc1nc2c(NO)nc3ccccc3c2n1Cc1ccccc1
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InChI
InChI=1S/C21H22N4O/c1-2-3-13-18-23-19-20(25(18)14-15-9-5-4-6-10-15)16-11-7-8-12-17(16)22-21(19)24-26/h4-12,26H,2-3,13-14H2,1H3,(H,22,24)
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InChIKey
XPRUEADMUIYAMQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.7765
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
62.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46831372
SID: 99209170
ChEMBL ID
CHEMBL1082307
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 723 nM
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